Information card for entry 4338766
| Formula |
C18 H22 P2 S3 |
| Calculated formula |
C18 H22 P2 S3 |
| SMILES |
S1P(=S)([S-])c2ccc3c4c(ccc([P+]1(C(C)C)C(C)C)c24)CC3 |
| Title of publication |
Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane: synthetic, structural, and computational studies. |
| Authors of publication |
Surgenor, Brian A.; Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Bühl, Michael; Kilian, Petr |
| Journal of publication |
Inorganic chemistry |
| Year of publication |
2014 |
| Journal volume |
53 |
| Journal issue |
13 |
| Pages of publication |
6856 - 6866 |
| a |
7.9678 ± 0.0013 Å |
| b |
14.172 ± 0.003 Å |
| c |
16.796 ± 0.003 Å |
| α |
90.762 ± 0.01° |
| β |
91 ± 0.007° |
| γ |
92 ± 0.008° |
| Cell volume |
1895 ± 0.6 Å3 |
| Cell temperature |
125 K |
| Ambient diffraction temperature |
125 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for significantly intense reflections |
0.0705 |
| Weighted residual factors for all reflections included in the refinement |
0.1672 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.921 |
| Diffraction radiation wavelength |
0.71075 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4338766.html
